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CNY
表記:13,15-DIAMINO-2-(AMINOMETHYL)-3,4,9,12-TETRAHYDROXYHEXADECAHYDRO-2H-7,10-EPOXYPYRANO[2,3-B][1,10,4]BENZODIOXAZACYCLODODECIN-8-YL 2,6-DIAMINO-2,6-DIDEOXYHEXOPYRANOSIDE
組成式:C23 H44 N6 O12
SMILES:O1C(CN)C(O)C(O)C2NCC5OC(OC3C(OC12)C(N)CC(N)C3O)C(O)C5OC4OC(CN)C(O)C(O)C4N
InChi:InChI=1S/C23H44N6O12/c24-2-7-13(31)15(33)10(28)21(36-7)40-19-9-4-29-11-16(34)14(32)8(3-25)37-22(11)39-18-6(27)1-5(26)12(30)20(18)41-23(38-9)17(19)35/h5-23,29-35H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
別名:CYCLIC NEOMYCIN
定義日:2005-06-24
最終更新日:2021-03-01
識別子（ID）:(2R,3S,4R,4aR,7R,8S,9R,10S,11aR,12S,13R,15S,15aR,16aR)-13,15-diamino-2-(aminomethyl)-3,4,9,12-tetrahydroxyhexadecahydro-2H-7,10-epoxypyrano[2,3-b][1,10,4]benzodioxazacyclododecin-8-yl 2,6-diamino-2,6-dideoxy-beta-L-idopyranoside
XPE
XPE
表記:3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL
組成式:C20 H42 O11
SMILES:O(CCOCCOCCO)CCOCCOCCOCCOCCOCCOCCO
InChi:InChI=1S/C20H42O11/c21-1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-20-18-30-16-14-28-12-10-26-8-6-24-4-2-22/h21-22H,1-20H2
別名:DECAETHYLENE GLYCOL
定義日:2004-06-23
最終更新日:2021-03-01
識別子（ID）:3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-diol
CO6
CO6
表記:ISOBUTYRYL-COENZYME A
組成式:C25 H42 N7 O17 P3 S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C(C)C
InChi:InChI=1S/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1
別名:IB-CO6
定義日:2006-10-11
最終更新日:2021-03-01
識別子（ID）:S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 2-methylpropanethioate (non-preferred name)
XPG
XPG
表記:7-[(1R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid
組成式:C20 H34 O5
SMILES:O=C(O)CCCCCCC1C(=O)CC(O)C1/C=C/C(O)CCCCC
InChi:InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1
別名:Prostaglandin E1
定義日:2013-09-17
最終更新日:2021-03-01
公開日:2014-09-10
識別子（ID）:(11alpha,12alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oic acid
COU
COU
表記:COUMARIN
組成式:C9 H6 O2
SMILES:O=C2Oc1ccccc1C=C2
InChi:InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
別名:2H-1-BENZOPYRAN-2-ONE
定義日:2005-03-09
最終更新日:2021-03-01
識別子（ID）:2H-chromen-2-one
CPB
CPB
表記:2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE
組成式:C21 H20 Cl N O5
SMILES:Clc4ccccc4C=2Oc1c(c(O)cc(O)c1C(=O)C=2)C3CCN(C)CC3O
InChi:InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
別名:FLAVOPIRIDOL
定義日:2000-05-11
最終更新日:2021-03-01
識別子（ID）:2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one
XRA
XRA
表記:2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
組成式:C19 H21 N5 O4
SMILES:O=C(N3CCN(c2nc1cc(OC)c(OC)cc1c(n2)N)CC3)c4occc4
InChi:InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
別名:Prazosin
定義日:2010-09-24
最終更新日:2021-03-01
識別子（ID）:[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl](furan-2-yl)methanone
CPL
CPL
表記:1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
組成式:C42 H80 N O8 P
SMILES:O=C(OCC(OC(=O)CCCCCCCC=C/CC=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCC
InChi:InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1
別名:PALMITOYL-LINOLEOYL PHOSPHATIDYLCHOLINE
定義日:2002-05-10
最終更新日:2021-03-01
識別子（ID）:(2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
CPQ
CPQ
表記:N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE
組成式:C42 H75 N3 O15
SMILES:O=C(NCCCN(C(=O)CCC(C4CCC3C2C(C1(C)CCC(O)CC1CC2)CC(O)C34C)C)CCCNC(=O)C(O)C(O)C(O)C(O)CO)C(O)C(O)C(O)C(O)CO
InChi:InChI=1S/C42H75N3O15/c1-22(26-9-10-27-25-8-7-23-18-24(48)12-13-41(23,2)28(25)19-31(51)42(26,27)3)6-11-32(52)45(16-4-14-43-39(59)37(57)35(55)33(53)29(49)20-46)17-5-15-44-40(60)38(58)36(56)34(54)30(50)21-47/h22-31,33-38,46-51,53-58H,4-21H2,1-3H3,(H,43,59)(H,44,60)/t22-,23-,24-,25+,26-,27+,28+,29-,30-,31+,33-,34-,35+,36+,37-,38-,41+,42-/m1/s1
別名:DEOXY-BIGCHAP
定義日:2001-03-30
最終更新日:2021-03-01
識別子（ID）:(2R,3S,4R,5R,2'R,3'S,4'R,5'R)-N,N'-[({(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl}imino)dipropane-3,1-diyl]bis(2,3,4,5,6-pentahydroxyhexanamide) (non-preferred name)
XSP
XSP
表記:(2R)-3-oxo-2-(phosphonooxy)propanoic acid
組成式:C3 H5 O7 P
SMILES:O=P(OC(C=O)C(=O)O)(O)O
InChi:InChI=1S/C3H5O7P/c4-1-2(3(5)6)10-11(7,8)9/h1-2H,(H,5,6)(H2,7,8,9)/t2-/m1/s1
別名:D-tartronate semialdehyde 2-phosphate
定義日:2012-07-30
最終更新日:2021-03-01
識別子（ID）:(2R)-3-oxo-2-(phosphonooxy)propanoic acid
CQL
CQL
表記:5-chloro-7-iodoquinolin-8-ol
組成式:C9 H5 Cl I N O
SMILES:Ic1c(O)c2ncccc2c(Cl)c1
InChi:InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
別名:Clioquinol
定義日:2009-10-28
最終更新日:2021-03-01
識別子（ID）:5-chloro-7-iodoquinolin-8-ol
XT1
XT1
表記:(2R)-3-[(2S,5R,6R,8S)-8-{(1R,2E)-3-[(2R,4a'R,5R,6'S,8'R,8a'S)-6'-{(1S,3S)-3-[(2S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1-hydroxybutyl}-8'-hydroxy-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-1-methylprop-2-en-1-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid
組成式:C45 H70 O13
SMILES:O=C(O)C(O)(C)CC7OC1(OC(CC(=C1)C)C(/C=C/C6OC2(OC3C(O)C(=C)C(OC3CC2)C(O)CC(C)C5OC4(OCCCC4C)CCC5C)CC6)C)C(O)CC7
InChi:InChI=1S/C45H70O13/c1-25-21-35(56-45(23-25)36(47)13-12-32(55-45)24-42(7,51)41(49)50)26(2)10-11-31-15-17-43(54-31)18-16-34-40(57-43)37(48)30(6)39(53-34)33(46)22-28(4)38-27(3)14-19-44(58-38)29(5)9-8-20-52-44/h10-11,23,26-29,31-40,46-48,51H,6,8-9,12-22,24H2,1-5,7H3,(H,49,50)/b11-10+/t26-,27-,28+,29-,31+,32+,33+,34-,35+,36-,37-,38+,39+,40-,42-,43-,44-,45-/m1/s1
別名:DINOPHYSISTOXIN-1
定義日:2009-10-22
最終更新日:2021-03-01
識別子（ID）:(2R)-3-[(2S,5R,6R,8S)-8-{(2R,3E)-4-[(2R,4a'R,5R,6'S,8'R,8a'S)-6'-{(1S,3S)-3-[(2S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1-hydroxybutyl}-8'-hydroxy-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid
XT8
XT8
表記:(2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
組成式:C15 H18 N2 O6 S2
SMILES:C(=O)C(NC(C(c1cscc1)C(O)=O)=O)C2SC(C(C(O)=O)N2)(C)C
InChi:InChI=1S/C15H18N2O6S2/c1-15(2)10(14(22)23)17-12(25-15)8(5-18)16-11(19)9(13(20)21)7-3-4-24-6-7/h3-6,8-10,12,17H,1-2H3,(H,16,19)(H,20,21)(H,22,23)/t8-,9-,10+,12-/m1/s1
別名:ticarcillin
定義日:2019-10-15
最終更新日:2021-03-01
公開日:2019-10-30
識別子（ID）:(2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
XTC
XTC
表記:(4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
組成式:C21 H21 N3 O9
SMILES:[O-][N+](=O)c2c(O)c3C(=O)C1=C(O)C4(O)C(=O)C(=C(O)C(N(C)C)C4CC1Cc3cc2)C(=O)N
InChi:InChI=1S/C21H21N3O9/c1-23(2)14-9-6-8-5-7-3-4-10(24(32)33)15(25)11(7)16(26)12(8)18(28)21(9,31)19(29)13(17(14)27)20(22)30/h3-4,8-9,14,25,27-28,31H,5-6H2,1-2H3,(H2,22,30)/t8-,9-,14-,21-/m0/s1
別名:9-NITROTETRACYCLINE
定義日:2012-05-22
最終更新日:2021-03-01
識別子（ID）:(4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
XTG
XTG
表記:4-NITROPHENYL 6-THIO-6-S-ALPHA-D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE
組成式:C17 H23 N O11 S
SMILES:[O-][N+](=O)c3ccc(OC2OC(CSC1OCC(O)C(O)C1O)C(O)C(O)C2O)cc3
InChi:InChI=1S/C17H23NO11S/c19-9-5-27-17(15(24)11(9)20)30-6-10-12(21)13(22)14(23)16(29-10)28-8-3-1-7(2-4-8)18(25)26/h1-4,9-17,19-24H,5-6H2/t9-,10-,11+,12-,13+,14-,15-,16-,17-/m1/s1
別名:4-NITROPHENYL-(6-S-ALPHA-D-XYLOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE
定義日:2005-11-17
最終更新日:2021-03-01
識別子（ID）:4-nitrophenyl 6-thio-6-S-alpha-D-xylopyranosyl-beta-D-glucopyranoside
CRM
CRM
表記:3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID
組成式:C14 H18 N4 O9
SMILES:O=C1NC(=O)NC=2N(C(=O)C(=NC1=2)CCC(=O)O)CC(O)C(O)C(O)CO
InChi:InChI=1S/C14H18N4O9/c19-4-7(21)10(24)6(20)3-18-11-9(12(25)17-14(27)16-11)15-5(13(18)26)1-2-8(22)23/h6-7,10,19-21,24H,1-4H2,(H,22,23)(H2,16,17,25,27)/t6-,7+,10-/m0/s1
別名:CARBOXYETHYLLUMAZINE
定義日:2002-02-13
最終更新日:2021-03-01
識別子（ID）:1-[6-(2-carboxyethyl)-2,4,7-trioxo-1,3,4,7-tetrahydropteridin-8(2H)-yl]-1-deoxy-D-ribitol
CRN
CRN
表記:N-[(E)-AMINO(IMINO)METHYL]-N-METHYLGLYCINE
組成式:C4 H9 N3 O2
SMILES:O=C(O)CN(C(=[N@H])N)C
InChi:InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)
別名:CREATINE
定義日:2003-12-30
最終更新日:2021-03-01
識別子（ID）:N-carbamimidoyl-N-methylglycine
XUG
XUG
表記:2'-SE-METHYL-2'-SELENOGUANOSINE 5'-(DIHYDROGEN PHOSPHATE)
組成式:C11 H16 N5 O7 P Se
SMILES:O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3[Se]C)COP(=O)(O)O
InChi:InChI=1S/C11H16N5O7PSe/c1-25-7-6(17)4(2-22-24(19,20)21)23-10(7)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H2,19,20,21)(H3,12,14,15,18)/t4-,6-,7-,10-/m1/s1
別名:(D)-2'-METHYLSELENYL-2'-DEOXYGUANOSINE-5'-PHOSPHATE
定義日:2006-05-18
最終更新日:2021-03-01
識別子（ID）:2'-Se-methyl-2'-selenoguanosine 5'-(dihydrogen phosphate)
GET
GET
表記:GENETICIN
組成式:C20 H40 N4 O10
SMILES:O(C2C(O)C(OC1OC(C(O)C)C(O)C(O)C1N)C(N)CC2N)C3OCC(O)(C(NC)C3O)C
InChi:InChI=1S/C20H40N4O10/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19/h6-19,24-30H,4-5,21-23H2,1-3H3/t6-,7+,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-,18-,19-,20+/m1/s1
別名:G418
定義日:2002-10-02
最終更新日:2021-03-01
識別子（ID）:(1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,7-dideoxy-D-glycero-alpha-D-gluco-heptopyranoside
GFL
GFL
表記:2-AMINO-9-(2-DEOXY-2-FLUORO-5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE
組成式:C10 H13 F N5 O7 P
SMILES:O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3F)COP(=O)(O)O
InChi:InChI=1S/C10H13FN5O7P/c11-4-6(17)3(1-22-24(19,20)21)23-9(4)16-2-13-5-7(16)14-10(12)15-8(5)18/h2-4,6,9,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4+,6-,9-/m1/s1
別名:2'-FLUORO-2-DEOXY-GUANOSINE-5'-MONOPHOSPHATE
定義日:2006-09-07
最終更新日:2021-03-01
識別子（ID）:2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one
GFT
GFT
表記:(2S)-2-azanyl-3-[cyclohexyloxy(methyl)phosphoryl]oxy-propanoic acid
組成式:C10 H20 N O5 P
SMILES:O=C(O)C(N)COP(=O)(OC1CCCCC1)C
InChi:InChI=1S/C10H20NO5P/c1-17(14,15-7-9(11)10(12)13)16-8-5-3-2-4-6-8/h8-9H,2-7,11H2,1H3,(H,12,13)/t9-,17-/m0/s1
別名:Cyclosarin bound Serine
定義日:2013-02-04
最終更新日:2021-03-01
公開日:2013-03-27
識別子（ID）:O-[(S)-(cyclohexyloxy)(methyl)phosphoryl]-L-serine
XX6
XX6
表記:2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-1,3-DIOL
組成式:C20 H23 N O4
SMILES:OCC(NCC(O)COc2cc3c(c1c2cccc1)cccc3)CO
InChi:InChI=1S/C20H23NO4/c22-11-15(12-23)21-10-16(24)13-25-20-9-14-5-1-2-6-17(14)18-7-3-4-8-19(18)20/h1-9,15-16,21-24H,10-13H2/t16-/m1/s1
別名:(R)-DIHYDROXY-PHENANTHRENOLOL
定義日:2007-06-19
最終更新日:2021-03-01
識別子（ID）:2-{[(2R)-2-hydroxy-3-(phenanthren-9-yloxy)propyl]amino}propane-1,3-diol
GGM
GGM
表記:3'-O-(N-methylanthraniloyl)-beta:gamma-imidoguanosine-5'-triphosphate
組成式:C18 H24 N7 O14 P3
SMILES:O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1c2N=C(N)NC1=O)C(O)C4OC(=O)c3ccccc3NC
InChi:InChI=1S/C18H24N7O14P3/c1-20-9-5-3-2-4-8(9)17(28)38-13-10(6-36-42(34,35)39-41(32,33)24-40(29,30)31)37-16(12(13)26)25-7-21-11-14(25)22-18(19)23-15(11)27/h2-5,7,10,12-13,16,20,26H,6H2,1H3,(H,34,35)(H3,19,22,23,27)(H4,24,29,30,31,32,33)/t10-,12-,13-,16-/m1/s1
別名:MANT-GMPPNP
定義日:2011-08-03
最終更新日:2021-03-01
識別子（ID）:5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3'-O-[2-(methylamino)benzoyl]guanosine
XXT
XXT
表記:[(3aS,5R,5aS,6S,8S,8aS,9S,9aR)-9-acetyloxy-8-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate
組成式:C19 H26 O7
SMILES:C[CH]1C[CH]2OC(=O)C(=C)[CH]2[CH](OC(C)=O)[C]3(C)[CH](O)C[CH](OC(C)=O)[CH]13
InChi:InChI=1S/C19H26O7/c1-8-6-12-15(9(2)18(23)26-12)17(25-11(4)21)19(5)14(22)7-13(16(8)19)24-10(3)20/h8,12-17,22H,2,6-7H2,1,3-5H3/t8-,12+,13+,14+,15-,16-,17+,19-/m1/s1
別名:Britannin
定義日:2016-06-28
最終更新日:2021-03-01
公開日:2017-06-28
識別子（ID）:[(3~{a}~{S},5~{R},5~{a}~{S},6~{S},8~{S},8~{a}~{S},9~{S},9~{a}~{R})-9-acetyloxy-5,8~{a}-dimethyl-1-methylidene-8-oxidanyl-2-oxidanylidene-4,5,5~{a},6,7,8,9,9~{a}-octahydro-3~{a}~{H}-azuleno[6,5-b]furan-6-yl] ethanoate
198
198
表記:R-BICALUTAMIDE
組成式:C18 H14 F4 N2 O4 S
SMILES:O=C(Nc1cc(c(C#N)cc1)C(F)(F)F)C(O)(C)CS(=O)(=O)c2ccc(F)cc2
InChi:InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m0/s1
別名:(2R)-N-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-3-[(4-FLUOROPHENYL)SULFONYL]-2-HYDROXY-2-METHYLPROPANAMIDE
定義日:2005-04-07
最終更新日:2021-03-01
識別子（ID）:(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide

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